6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine

C12H18IN3O — CID 80680945

IUPAC6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCCc1nc(C2(C)CCCCO2)nc(N)c1I
InChIInChI=1S/C12H18IN3O/c1-3-8-9(13)10(14)16-11(15-8)12(2)6-4-5-7-17-12/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUXMBIMWXTAGQMG-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.64
Rot. Bonds2

About 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine

6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine (PubChem CID 80680945) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
PubChem CID80680945
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCCc1nc(C2(C)CCCCO2)nc(N)c1I
InChIInChI=1S/C12H18IN3O/c1-3-8-9(13)10(14)16-11(15-8)12(2)6-4-5-7-17-12/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUXMBIMWXTAGQMG-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine (CID 80680945) is 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine is CCc1nc(C2(C)CCCCO2)nc(N)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The InChIKey is UXMBIMWXTAGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-3-8-9(13)10(14)16-11(15-8)12(2)6-4-5-7-17-12/h3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80680945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).